CID 53410107

4-ethoxynicotinaldehyde

Structural Information

Molecular Formula
C8H9NO2
SMILES
CCOC1=C(C=NC=C1)C=O
InChI
InChI=1S/C8H9NO2/c1-2-11-8-3-4-9-5-7(8)6-10/h3-6H,2H2,1H3
InChIKey
WTPCEMVXJKMFNZ-UHFFFAOYSA-N
Compound name
4-ethoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

151.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.1
[M+Na]+ 174.05254 137.2
[M-H]- 150.05604 130.7
[M+NH4]+ 169.09714 148.2
[M+K]+ 190.02648 135.9
[M+H-H2O]+ 134.06058 121.8
[M+HCOO]- 196.06152 152.4
[M+CH3COO]- 210.07717 175.2
[M+Na-2H]- 172.03799 136.3
[M]+ 151.06277 130.8
[M]- 151.06387 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe